Molecule ID: mol16624
SMILES: NS(=O)(=O)c1cc2cc(CNC(CO)CO)sc2s1
InChI: InChI=1S/C10H14N2O4S3/c11-19(15,16)9-2-6-1-8(17-10(6)18-9)3-12-7(4-13)5-14/h1-2,7,12-14H,3-5H2,(H2,11,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.95 | OCHEM | 1 » 0 |
| 6.95 | Baltruschat ChEMBL | 1 » 0 |